1-(5-chloro-2-methylphenyl)piperazine

• ChemBase ID: 123364
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: c1(N2CCNCC2)cc(ccc1C)Cl
• Canonical SMILES: Cc1ccc(cc1N1CCNCC1)Cl
• InChI: InChI=1S/C11H15ClN2/c1-9-2-3-10(12)8-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
• InChIKey: FVDJRHNUZNLRJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-chloro-2-methylphenyl)piperazine
• IUPAC Traditional name: 1-(5-chloro-2-methylphenyl)piperazine
• Synonyms: 1-(5-chloro-2-methylphenyl)piperazine

Database IDs

• PubChem SID: 162217717
• PubChem CID: 693767

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.34132418
• LogD (pH = 7.4): 1.1773771
• Log P: 2.6628275
• Molar Refractivity: 61.088 cm^3
• Polarizability: 23.253061 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true